2-{[(4-Methoxy-2-Pyridinyl)Methyl]Sulfinyl}-6-(1,1,2,2-Tetrafluoroethoxy)-1H-Benzimidazole

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Properties Simple | Detailed

Formula C16H13F4N3O3S
IUPAC Name 2-[(r)-(4-methoxy-2-pyridyl)methylsulfinyl]-5-(1,1,2,2-tetrafluoroethoxy)benzimidazol-3-ium
Molecular Mass 403.351 g·mol−1
Heat of Formation -957.9 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 412.21 Å 3
Surface Area 375.51 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey IWECCZBOLCDNSE-HHHXNRCGSA-N
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